Hexyl anisate
Basic information
- CAS
71607-26-6- Standard SMILES
CCCCCCOC(=O)c1ccc(OC)cc1- InChIKey
DUALVGKOWZJXLR-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Hexyl anisate
- IUPAC
- hexyl 4-methoxybenzoate
- English name
- hexyl anisate
- Molecular formula
- C14H20O3
- Molecular weight
- 236.3068
Names & synonyms
Hexyl anisate71607-26-6EINECS 275-670-2DTXSID60221850RefChem:146332DTXCID90144341275-670-2Hexyl 4-methoxybenzoatep-Methoxybenzoic acid, hexyl ester81542-09-8hexyl para-anisateHexyl 4-methoxybenzoate #
Show more names
SCHEMBL22498317NSC309837Benzoicacid, 4-methoxy-, hexyl esterNSC-309837DS-010482NS00037253
Database identifiers
- CAS
71607-26-6、81542-09-8- PubChem CID
- 328893
- DTXSID
DTXSID60221850- EC Number
- 275-670-2
- Nikkaji
- J1.296.031J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- solubility
- Insoluble in water, alcohol and oils, poorly soluble in Propylene glycol.
- form
- Colorless, slightly oily liquid
- Odor
- Mild Cherry -anisic, fruity-floral odor resembling Hawthorne and Heliotrope.
- LogP
- 4.956 · 4.956 (est)
Chemistry & industry
Applications
UsesOf little more than academic interest, hexyl anisate may find some use in perfumery as a modifier for Heliotropine and Anisalcohol in herbaceous-floral, sweet fragrance types. Apart from being a possible modifier in Vanilla imitation flavors, the ester has probably little or no application in food flavors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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